Structural and electronic properties of the (111)2×1 surface of Ge from first-principles calculations

Noboru Takeuchi, Annabella Selloni, A. I. Shkrebtii, E. Tosatti

Research output: Contribution to journalArticlepeer-review

48 Scopus citations

Abstract

We present results of a first-principles determination of the surface structure and electronic properties of Ge(111)2×1. We have found that the most stable state of this surface has a -bonded chainlike structure. This structure has two different isomers with the tilt angle of the uppermost chains in opposite directions, and energetically very close to each other. The isomers exhibit a similar buckling of the surface chains, much larger that that of Si(111)2×1. They also show a very similar surface-state dispersion, which agrees well with the angle-resolved photoemission data of Nicholls et al.

Original languageEnglish (US)
Pages (from-to)13611-13617
Number of pages7
JournalPhysical Review B
Volume44
Issue number24
DOIs
StatePublished - Jan 1 1991

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

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